N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide

C17H24ClFN3O+ — CID 7364521

IUPACN-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CC[NH+](C2CCCCC2)CC1
InChIInChI=1S/C17H23ClFN3O/c18-15-12-13(6-7-16(15)19)20-17(23)22-10-8-21(9-11-22)14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11H2,(H,20,23)/p+1
InChIKeyCUYNPZBFBXHDOQ-UHFFFAOYSA-O
MW340.85 g/mol
LogP2.54
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide

N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide (PubChem CID 7364521) has the molecular formula C17H24ClFN3O+ and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide
PubChem CID7364521
Molecular FormulaC17H24ClFN3O+
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CC[NH+](C2CCCCC2)CC1
InChIInChI=1S/C17H23ClFN3O/c18-15-12-13(6-7-16(15)19)20-17(23)22-10-8-21(9-11-22)14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11H2,(H,20,23)/p+1
InChIKeyCUYNPZBFBXHDOQ-UHFFFAOYSA-O
XLogP2.54
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 95711738
4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide
CID 7346790
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 140894275
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide
CID 7345960
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-(3-amino-4-chlorophenyl)azepane-1-carboxamide
CID 79152618

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide (CID 7364521) is N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CC[NH+](C2CCCCC2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide?
The InChIKey is CUYNPZBFBXHDOQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23ClFN3O/c18-15-12-13(6-7-16(15)19)20-17(23)22-10-8-21(9-11-22)14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11H2,(H,20,23)/p+1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide is sourced from PubChem (CID 7364521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).